#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgs n SER 2 N 0.00 -0.55 0.12 1.61 2.88 -1.26 -4.92 113.62 111.50 1wgs n SER 2 Ca 0.00 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 1wgs n SER 2 Cb 0.00 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.26 1wgs n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wgs n SER 3 N 0.62 0.12 0.00 -3.46 3.41 -1.26 -5.15 113.62 107.90 1wgs n SER 3 Ca 0.11 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1wgs n SER 3 Cb 0.44 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 1wgs n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgs n GLY 4 N 1.98 -1.00 2.76 5.00 0.00 -1.26 -5.11 105.19 107.57 1wgs n GLY 4 Ca 0.00 0.48 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 1wgs n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgs n SER 5 N 0.00 -7.08 -4.28 1.61 7.64 -1.26 -5.02 113.62 105.24 1wgs n SER 5 Ca 0.00 1.32 -0.32 0.00 1.01 0.00 0.00 58.87 60.88 1wgs n SER 5 Cb 0.00 -4.90 -0.16 0.00 -1.01 0.00 0.00 64.21 58.13 1wgs n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wgs s SER 6 N -1.45 3.18 0.00 6.43 0.01 -1.26 -5.07 113.70 115.55 1wgs s SER 6 Ca -0.03 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1wgs s SER 6 Cb 0.00 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.26 1wgs s SER 6 CO 0.70 0.23 0.00 0.61 0.41 0.00 0.00 173.24 175.19 1wgs n GLY 7 N 3.04 3.28 3.64 3.44 0.00 -1.26 -5.19 105.19 112.13 1wgs n GLY 7 Ca -0.18 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 1wgs n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wgs s GLU 8 N 2.51 0.05 0.07 1.61 -1.05 -1.26 -5.14 118.70 115.48 1wgs s GLU 8 Ca 0.00 0.01 -0.30 0.00 -0.15 0.00 0.00 54.97 54.52 1wgs s GLU 8 Cb 0.00 0.02 -0.06 0.00 -0.44 0.00 0.00 34.13 33.66 1wgs s GLU 8 CO 0.00 -0.02 1.16 -1.25 0.95 0.00 0.00 175.26 176.10 1wgs s PRO 9 N -1.21 4.46 -0.89 -4.83 0.04 -1.26 -4.91 135.00 126.40 1wgs s PRO 9 Ca 0.10 1.72 -0.25 0.00 0.04 0.00 0.00 61.00 62.61 1wgs s PRO 9 Cb -0.01 -3.35 -0.11 0.00 0.04 0.00 0.00 34.50 31.07 1wgs s PRO 9 CO -0.07 -0.20 2.17 -1.21 0.04 0.00 0.00 177.00 177.73 1wgs s GLU 10 N 0.89 1.99 1.17 4.56 0.41 -1.26 -4.92 118.70 121.55 1wgs s GLU 10 Ca 0.57 -0.02 -0.17 0.00 -0.41 0.00 0.00 54.97 54.93 1wgs s GLU 10 Cb -0.28 -4.95 0.23 0.00 -1.78 0.00 0.00 34.13 27.35 1wgs s GLU 10 CO 0.30 -4.10 0.48 1.55 -0.49 0.00 0.00 175.26 172.99 1wgs n VAL 11 N 8.39 0.00 -3.54 2.63 3.14 -1.26 -5.05 118.33 122.64 1wgs n VAL 11 Ca 0.44 -0.09 -0.12 0.00 -2.96 0.00 0.00 64.34 61.60 1wgs n VAL 11 Cb 0.45 -0.68 -0.05 0.00 -1.06 0.00 0.00 33.84 32.51 1wgs n VAL 11 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1wgs s THR 12 N -2.13 0.00 0.08 1.55 2.01 -1.26 -5.17 115.64 110.72 1wgs s THR 12 Ca 0.50 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.59 1wgs s THR 12 Cb -0.10 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 1wgs s THR 12 CO 0.46 0.00 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.46 1wgs s VAL 13 N -1.68 2.38 -0.04 3.82 1.01 -1.26 -5.03 120.40 119.60 1wgs s VAL 13 Ca -0.03 -1.49 0.06 0.00 0.00 0.00 0.00 61.98 60.52 1wgs s VAL 13 Cb -0.00 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1wgs s VAL 13 CO 0.01 0.24 -0.23 -1.61 0.00 0.00 0.00 175.10 173.51 1wgs s GLU 14 N -1.66 2.18 0.50 2.72 2.02 -1.26 -5.13 118.70 118.07 1wgs s GLU 14 Ca 0.14 -0.82 -0.12 0.00 0.02 0.00 0.00 54.97 54.19 1wgs s GLU 14 Cb -0.10 -1.92 -0.06 0.00 0.10 0.00 0.00 34.13 32.14 1wgs s GLU 14 CO 0.05 0.38 0.91 0.42 0.02 0.00 0.00 175.26 177.04 1wgs s ILE 15 N -0.23 4.69 0.00 -1.63 -1.09 -1.26 -3.79 121.20 117.90 1wgs s ILE 15 Ca -0.00 0.85 0.00 0.00 -2.23 0.00 0.00 60.65 59.27 1wgs s ILE 15 Cb -0.12 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 1wgs s ILE 15 CO 0.02 -0.76 0.00 0.61 -1.23 0.00 0.00 174.94 173.58 1wgs n GLY 16 N -1.84 2.85 3.93 6.18 0.00 -0.91 -5.00 105.19 110.40 1wgs n GLY 16 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1wgs n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgs s GLU 17 N -0.11 3.09 -0.01 1.61 8.01 -1.25 -4.81 118.70 125.23 1wgs s GLU 17 Ca 0.00 -0.19 -0.00 0.00 0.01 0.00 0.00 54.97 54.79 1wgs s GLU 17 Cb 0.00 -2.42 -0.04 0.00 -4.31 0.00 0.00 34.13 27.36 1wgs s GLU 17 CO 0.00 -0.42 0.06 0.99 0.01 0.00 0.00 175.26 175.90 1wgs s THR 18 N -2.75 4.57 0.07 3.63 2.01 -1.26 -1.54 115.64 120.37 1wgs s THR 18 Ca 0.50 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1wgs s THR 18 Cb -0.10 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1wgs s THR 18 CO 0.42 0.38 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.37 1wgs s TYR 19 N -1.14 0.66 -0.29 4.92 1.51 0.32 -4.95 117.35 118.37 1wgs s TYR 19 Ca 0.21 -0.98 -0.26 0.00 -1.01 0.00 0.00 57.07 55.04 1wgs s TYR 19 Cb -0.12 -0.43 0.01 0.00 -0.11 0.00 0.00 41.96 41.30 1wgs s TYR 19 CO 0.12 -0.28 0.90 -0.51 -1.11 0.00 0.00 175.55 174.67 1wgs s LEU 20 N -2.89 4.04 -0.20 -1.29 2.01 -1.26 -0.58 118.68 118.51 1wgs s LEU 20 Ca 0.08 0.89 -0.11 0.00 0.01 0.00 0.00 54.13 55.00 1wgs s LEU 20 Cb 0.06 -3.27 -0.05 0.00 0.01 0.00 0.00 46.19 42.94 1wgs s LEU 20 CO -0.07 -0.68 0.18 0.00 1.01 0.00 0.00 176.35 176.78 1wgs s ARG 22 N 0.51 4.15 -0.14 0.00 3.52 0.74 -1.87 118.95 125.86 1wgs s ARG 22 Ca 0.10 2.55 -0.02 0.00 -0.13 0.00 0.00 55.73 58.23 1wgs s ARG 22 Cb -0.12 -3.15 0.04 0.00 -1.56 0.00 0.00 34.95 30.16 1wgs s ARG 22 CO 0.00 -0.73 -0.00 1.03 -0.81 0.00 0.00 175.30 174.79 1wgs s ARG 23 N 1.36 0.86 -1.16 5.12 0.52 -1.17 -4.92 118.95 119.57 1wgs s ARG 23 Ca 0.74 -0.23 -0.19 0.00 -0.52 0.00 0.00 55.73 55.54 1wgs s ARG 23 Cb -0.48 -1.62 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 1wgs s ARG 23 CO 0.32 -0.44 1.97 -0.35 0.02 0.00 0.00 175.30 176.82 1wgs n PRO 24 N 5.04 2.26 0.00 3.54 -0.04 -1.26 -3.71 135.00 140.83 1wgs n PRO 24 Ca -0.09 -2.48 0.00 0.00 -0.04 0.00 0.00 63.50 60.89 1wgs n PRO 24 Cb 0.49 -3.31 0.00 0.00 -0.04 0.00 0.00 33.50 30.64 1wgs n PRO 24 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wgs n ASP 25 N 8.67 0.00 0.00 3.54 -0.08 -1.26 -5.04 116.55 122.38 1wgs n ASP 25 Ca 0.49 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.77 1wgs n ASP 25 Cb 0.42 0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.95 1wgs n ASP 25 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1wgs n SER 26 N -2.29 0.00 0.00 1.67 7.64 -1.24 -5.16 113.62 114.24 1wgs n SER 26 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wgs n SER 26 Cb 0.00 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1wgs n SER 26 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1wgs n THR 27 N -1.99 0.00 -3.88 0.44 5.66 -1.25 -5.10 114.28 108.15 1wgs n THR 27 Ca 0.00 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.74 1wgs n THR 27 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1wgs n THR 27 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1wgs s TRP 28 N -0.64 3.48 -0.06 1.09 0.52 -1.26 -3.01 118.94 119.06 1wgs s TRP 28 Ca 0.00 0.16 0.03 0.00 0.02 0.00 0.00 56.10 56.30 1wgs s TRP 28 Cb 0.00 -1.70 0.01 0.00 -1.15 0.00 0.00 33.47 30.63 1wgs s TRP 28 CO 0.00 0.47 -0.12 -1.01 0.02 0.00 0.00 176.95 176.31 1wgs s HIS 29 N -1.80 1.40 0.29 -1.98 3.76 -0.78 -4.94 115.29 111.24 1wgs s HIS 29 Ca 0.35 -0.48 -0.30 0.00 -0.15 0.00 0.00 55.06 54.49 1wgs s HIS 29 Cb -0.11 -1.02 -0.11 0.00 1.11 0.00 0.00 32.58 32.45 1wgs s HIS 29 CO 0.29 -0.24 1.55 -1.54 -0.85 0.00 0.00 174.74 173.95 1wgs s SER 30 N 0.53 6.44 -0.10 1.40 1.04 -1.26 -1.36 113.70 120.39 1wgs s SER 30 Ca -0.12 2.89 -0.07 0.00 0.48 0.00 0.00 55.95 59.13 1wgs s SER 30 Cb -0.14 -2.63 0.04 0.00 0.10 0.00 0.00 66.02 63.38 1wgs s SER 30 CO 0.03 -0.86 0.24 0.00 0.98 0.00 0.00 173.24 173.64 1wgs s ALA 31 N -0.09 -0.58 0.08 5.32 0.00 0.25 -3.55 121.76 123.20 1wgs s ALA 31 Ca 0.61 0.85 -0.26 0.00 0.00 0.00 0.00 51.96 53.17 1wgs s ALA 31 Cb -0.46 -0.52 -0.06 0.00 0.00 0.00 0.00 23.12 22.08 1wgs s ALA 31 CO 0.48 -0.16 0.80 -1.83 0.00 0.00 0.00 175.76 175.05 1wgs s GLU 32 N 0.73 4.55 -0.55 0.00 -1.05 0.77 -0.53 118.70 122.63 1wgs s GLU 32 Ca -0.05 1.16 -0.27 0.00 -0.15 0.00 0.00 54.97 55.65 1wgs s GLU 32 Cb -0.06 -3.34 0.03 0.00 -0.44 0.00 0.00 34.13 30.32 1wgs s GLU 32 CO -0.04 0.34 1.11 0.08 0.95 0.00 0.00 175.26 177.70 1wgs s VAL 33 N -0.29 4.15 -0.00 1.83 1.01 -0.59 0.15 120.40 126.66 1wgs s VAL 33 Ca 0.39 0.82 -0.19 0.00 0.00 0.00 0.00 61.98 63.00 1wgs s VAL 33 Cb -0.22 -4.65 -0.11 0.00 0.00 0.00 0.00 36.38 31.41 1wgs s VAL 33 CO 0.25 -1.21 0.90 0.40 0.00 0.00 0.00 175.10 175.44 1wgs h ILE 34 N 6.14 0.00 -2.17 2.22 1.08 0.76 -2.42 117.51 123.12 1wgs h ILE 34 Ca -0.25 -0.33 -0.02 0.00 -0.39 0.00 0.00 64.86 63.87 1wgs h ILE 34 Cb 1.06 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1wgs h ILE 34 CO 1.15 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 178.61 1wgs n GLN 35 N -4.79 0.09 -4.21 2.37 1.13 -1.22 -4.56 117.38 106.20 1wgs n GLN 35 Ca -0.09 -0.28 -0.13 0.00 -1.94 0.00 0.00 57.00 54.57 1wgs n GLN 35 Cb 0.28 0.29 -0.10 0.00 0.11 0.00 0.00 30.24 30.82 1wgs n GLN 35 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1wgs s SER 36 N -1.23 1.50 0.13 1.08 1.04 -1.26 -1.67 113.70 113.28 1wgs s SER 36 Ca 0.03 -0.98 -0.25 0.00 0.48 0.00 0.00 55.95 55.23 1wgs s SER 36 Cb -0.00 0.03 0.07 0.00 0.10 0.00 0.00 66.02 66.22 1wgs s SER 36 CO 0.02 -0.37 0.73 0.00 0.98 0.00 0.00 173.24 174.60 1wgs s ARG 37 N -3.65 1.21 0.07 4.02 1.70 -0.73 -4.96 118.95 116.60 1wgs s ARG 37 Ca 0.13 -0.51 0.09 0.00 -0.47 0.00 0.00 55.73 54.97 1wgs s ARG 37 Cb 0.03 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.89 1wgs s ARG 37 CO -0.02 -0.54 -0.23 0.08 -1.08 0.00 0.00 175.30 173.51 1wgs s VAL 38 N -3.55 2.41 -0.34 4.99 1.01 -1.26 -1.63 120.40 122.03 1wgs s VAL 38 Ca 0.05 -1.42 -0.11 0.00 0.00 0.00 0.00 61.98 60.49 1wgs s VAL 38 Cb -0.02 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 1wgs s VAL 38 CO -0.08 0.28 0.20 0.20 0.00 0.00 0.00 175.10 175.70 1wgs s ASN 39 N -1.54 5.76 0.06 3.32 -0.87 0.55 -4.92 114.94 117.31 1wgs s ASN 39 Ca 0.14 -0.60 0.27 0.00 -1.57 0.00 0.00 52.86 51.10 1wgs s ASN 39 Cb -0.10 -2.05 0.91 0.00 -0.02 0.00 0.00 41.25 39.98 1wgs s ASN 39 CO 0.04 -0.26 1.73 -0.67 -2.57 0.00 0.00 177.10 175.38 1wgs n ASP 40 N 5.03 0.35 -0.09 -1.22 2.03 -1.26 -0.50 116.55 120.90 1wgs n ASP 40 Ca -0.13 0.33 -0.11 0.00 0.52 0.00 0.00 54.79 55.40 1wgs n ASP 40 Cb 0.49 -0.35 -0.05 0.00 -0.72 0.00 0.00 41.12 40.49 1wgs n ASP 40 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1wgs n GLN 41 N -1.74 0.50 0.19 -0.67 7.27 -1.26 -4.38 117.38 117.29 1wgs n GLN 41 Ca 0.06 0.45 0.13 0.00 0.07 0.00 0.00 57.00 57.71 1wgs n GLN 41 Cb 0.37 -1.64 0.30 0.00 2.41 0.00 0.00 30.24 31.68 1wgs n GLN 41 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1wgs h GLU 42 N -1.00 0.00 -5.15 3.69 4.39 -1.99 -3.47 114.58 111.04 1wgs h GLU 42 Ca -0.13 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.33 1wgs h GLU 42 Cb 0.86 0.00 0.17 0.00 -0.10 0.00 0.00 28.75 29.68 1wgs h GLU 42 CO -0.08 0.00 -0.74 0.41 -1.16 0.00 0.00 179.01 177.44 1wgs n GLY 43 N 1.01 -0.77 3.64 -3.84 0.00 0.35 -5.03 105.19 100.54 1wgs n GLY 43 Ca 0.04 0.39 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 1wgs n GLY 43 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wgs s ARG 44 N -4.42 1.54 0.10 1.61 1.70 -1.06 -4.98 118.95 113.45 1wgs s ARG 44 Ca 0.32 -0.95 -0.02 0.00 -0.47 0.00 0.00 55.73 54.61 1wgs s ARG 44 Cb -0.04 0.55 -0.05 0.00 -0.57 0.00 0.00 34.95 34.84 1wgs s ARG 44 CO 0.65 -0.67 0.28 -1.21 -1.08 0.00 0.00 175.30 173.26 1wgs s GLU 45 N -3.91 3.51 0.06 3.89 2.02 -1.26 -0.33 118.70 122.69 1wgs s GLU 45 Ca 0.12 -0.30 -0.08 0.00 0.02 0.00 0.00 54.97 54.72 1wgs s GLU 45 Cb -0.03 -2.96 -0.00 0.00 0.10 0.00 0.00 34.13 31.24 1wgs s GLU 45 CO 0.02 0.55 0.17 -1.21 0.02 0.00 0.00 175.26 174.81 1wgs s GLU 46 N -2.60 0.75 -0.04 1.61 2.02 -0.65 -4.61 118.70 115.19 1wgs s GLU 46 Ca 0.37 -0.83 -0.01 0.00 0.02 0.00 0.00 54.97 54.52 1wgs s GLU 46 Cb -0.13 0.31 0.03 0.00 0.10 0.00 0.00 34.13 34.44 1wgs s GLU 46 CO 0.27 -0.22 0.04 -0.06 0.02 0.00 0.00 175.26 175.30 1wgs s PHE 47 N -3.27 0.17 -0.80 1.61 0.40 -0.34 -1.78 117.98 113.97 1wgs s PHE 47 Ca 0.00 0.14 -0.25 0.00 -0.60 0.00 0.00 56.93 56.22 1wgs s PHE 47 Cb 0.02 -0.45 -0.01 0.00 0.51 0.00 0.00 43.02 43.09 1wgs s PHE 47 CO -0.08 -0.17 1.75 -0.47 0.70 0.00 0.00 175.22 176.94 1wgs s TYR 48 N 1.71 1.94 0.01 0.36 5.04 -0.67 -0.65 117.35 125.08 1wgs s TYR 48 Ca -0.01 0.36 -0.09 0.00 -2.44 0.00 0.00 57.07 54.89 1wgs s TYR 48 Cb -0.13 -4.25 -0.05 0.00 0.35 0.00 0.00 41.96 37.89 1wgs s TYR 48 CO -0.03 -2.01 0.31 0.14 -1.34 0.00 0.00 175.55 172.61 1wgs s VAL 49 N 8.33 5.23 -0.21 3.14 -7.23 -0.93 0.13 120.40 128.86 1wgs s VAL 49 Ca 0.60 0.36 -0.04 0.00 -1.81 0.00 0.00 61.98 61.09 1wgs s VAL 49 Cb -0.08 -3.59 -0.02 0.00 0.56 0.00 0.00 36.38 33.26 1wgs s VAL 49 CO 0.07 0.42 -0.03 -2.28 -0.31 0.00 0.00 175.10 172.98 1wgs s HIS 50 N -1.25 2.98 -0.84 2.82 2.46 0.39 -3.63 115.29 118.23 1wgs s HIS 50 Ca 0.26 -0.72 -0.25 0.00 0.47 0.00 0.00 55.06 54.83 1wgs s HIS 50 Cb -0.14 -2.09 0.04 0.00 -0.13 0.00 0.00 32.58 30.27 1wgs s HIS 50 CO 0.14 -0.41 1.31 0.71 -2.47 0.00 0.00 174.74 174.03 1wgs s TYR 51 N 1.25 2.43 -0.39 3.88 2.02 -1.25 -0.16 117.35 125.13 1wgs s TYR 51 Ca 0.03 -0.42 0.22 0.00 -0.37 0.00 0.00 57.07 56.53 1wgs s TYR 51 Cb -0.14 -4.62 1.02 0.00 -0.40 0.00 0.00 41.96 37.82 1wgs s TYR 51 CO -0.00 -1.98 1.66 1.33 -1.57 0.00 0.00 175.55 174.99 1wgs n VAL 52 N 6.49 0.97 -2.58 0.71 0.24 -1.23 -2.76 118.33 120.16 1wgs n VAL 52 Ca 0.14 0.46 -0.36 0.00 -2.04 0.00 0.00 64.34 62.55 1wgs n VAL 52 Cb 0.49 -1.42 0.00 0.00 -1.47 0.00 0.00 33.84 31.45 1wgs n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wgs n GLY 53 N -0.63 5.88 0.24 7.63 0.00 -1.26 -4.71 105.19 112.35 1wgs n GLY 53 Ca 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.38 1wgs n GLY 53 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wgs n PHE 54 N -0.24 -0.31 -3.90 1.61 3.72 -1.11 -5.04 117.46 112.20 1wgs n PHE 54 Ca 0.43 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.84 1wgs n PHE 54 Cb 0.33 0.06 0.01 0.00 -0.94 0.00 0.00 39.48 38.94 1wgs n PHE 54 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1wgs n ASN 55 N -1.06 -0.89 -0.03 4.37 5.15 -1.21 -5.03 115.26 116.57 1wgs n ASN 55 Ca 0.00 -1.28 -0.22 0.00 -0.60 0.00 0.00 54.58 52.49 1wgs n ASN 55 Cb 0.00 1.40 -0.13 0.00 -0.53 0.00 0.00 39.78 40.52 1wgs n ASN 55 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wgs n ARG 56 N -0.58 0.70 0.09 1.20 5.12 -1.26 -3.88 116.66 118.05 1wgs n ARG 56 Ca 0.02 0.37 0.08 0.00 -1.93 0.00 0.00 57.85 56.38 1wgs n ARG 56 Cb 0.39 -1.72 0.37 0.00 -1.16 0.00 0.00 32.46 30.34 1wgs n ARG 56 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1wgs n ARG 57 N -3.81 0.09 -2.57 5.56 -4.01 -1.26 -3.52 116.66 107.15 1wgs n ARG 57 Ca -0.32 0.51 -0.43 0.00 -1.04 0.00 0.00 57.85 56.57 1wgs n ARG 57 Cb 0.93 -1.76 0.01 0.00 -3.04 0.00 0.00 32.46 28.60 1wgs n ARG 57 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1wgs n LEU 58 N -1.95 6.55 -3.95 2.89 4.77 -1.25 -4.92 117.00 119.14 1wgs n LEU 58 Ca 0.00 -4.83 -0.25 0.00 -0.03 0.00 0.00 56.01 50.90 1wgs n LEU 58 Cb 0.08 -1.41 -0.17 0.00 -2.33 0.00 0.00 43.42 39.59 1wgs n LEU 58 CO 0.10 1.47 -0.45 -1.81 -1.33 0.00 0.00 177.39 175.37 1wgs s ASP 59 N 0.03 1.82 0.28 -1.43 1.11 -1.23 -3.93 116.67 113.33 1wgs s ASP 59 Ca 0.37 -0.27 -0.09 0.00 0.18 0.00 0.00 52.55 52.74 1wgs s ASP 59 Cb 0.08 -0.77 -0.00 0.00 1.07 0.00 0.00 42.92 43.29 1wgs s ASP 59 CO 0.04 -0.05 0.47 -1.83 1.18 0.00 0.00 175.17 174.98 1wgs s GLU 60 N 1.15 1.66 0.24 8.23 -1.05 -1.24 -5.05 118.70 122.64 1wgs s GLU 60 Ca -0.06 -1.44 -0.12 0.00 -0.15 0.00 0.00 54.97 53.21 1wgs s GLU 60 Cb -0.14 0.46 -0.08 0.00 -0.44 0.00 0.00 34.13 33.93 1wgs s GLU 60 CO -0.02 -0.69 0.60 -1.58 0.95 0.00 0.00 175.26 174.52 1wgs s TRP 61 N -3.65 3.44 0.38 4.83 0.52 -1.26 -2.20 118.94 121.00 1wgs s TRP 61 Ca 0.26 0.99 0.03 0.00 0.02 0.00 0.00 56.10 57.39 1wgs s TRP 61 Cb -0.00 -2.35 -0.01 0.00 -1.15 0.00 0.00 33.47 29.96 1wgs s TRP 61 CO 0.13 0.25 0.10 1.33 0.02 0.00 0.00 176.95 178.78 1wgs n VAL 62 N -0.03 0.00 -4.30 4.03 0.24 0.18 -4.85 118.33 113.59 1wgs n VAL 62 Ca 0.00 -2.09 -0.24 0.00 -2.04 0.00 0.00 64.34 59.97 1wgs n VAL 62 Cb 0.52 0.68 -0.08 0.00 -1.47 0.00 0.00 33.84 33.49 1wgs n VAL 62 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1wgs s ASP 63 N -3.26 4.28 0.23 -1.34 1.01 -1.26 -1.20 116.67 115.13 1wgs s ASP 63 Ca 0.14 -0.91 -0.06 0.00 0.71 0.00 0.00 52.55 52.43 1wgs s ASP 63 Cb 0.01 -0.60 0.22 0.00 1.01 0.00 0.00 42.92 43.56 1wgs s ASP 63 CO 0.10 -0.20 1.80 0.11 0.21 0.00 0.00 175.17 177.19 1wgs h LYS 64 N 1.80 1.13 -0.31 8.23 1.57 -1.92 -1.33 116.57 125.74 1wgs h LYS 64 Ca -0.43 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.12 1wgs h LYS 64 Cb 1.25 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1wgs h LYS 64 CO 0.65 0.91 0.07 -0.97 -0.57 0.00 0.00 179.45 179.55 1wgs h ASN 65 N 1.11 0.47 0.10 0.86 -0.73 -1.97 -1.93 115.58 113.49 1wgs h ASN 65 Ca 0.26 -0.24 -0.00 0.00 1.87 0.00 0.00 56.30 58.19 1wgs h ASN 65 Cb 0.20 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 38.67 1wgs h ASN 65 CO -0.02 0.58 -0.02 0.03 -0.37 0.00 0.00 177.43 177.64 1wgs h ARG 66 N 0.34 0.00 -7.08 6.67 3.08 -1.85 -3.42 114.38 112.11 1wgs h ARG 66 Ca 0.10 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.69 1wgs h ARG 66 Cb 0.30 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.42 1wgs h ARG 66 CO 0.00 0.02 0.09 -0.51 -1.07 0.00 0.00 179.97 178.50 1wgs s LEU 67 N -7.01 3.03 -0.38 3.04 1.43 -0.54 -0.19 118.68 118.07 1wgs s LEU 67 Ca -0.04 -0.14 -0.06 0.00 -1.03 0.00 0.00 54.13 52.86 1wgs s LEU 67 Cb 0.14 -2.38 0.07 0.00 0.03 0.00 0.00 46.19 44.05 1wgs s LEU 67 CO 0.50 -1.66 0.17 0.00 0.23 0.00 0.00 176.35 175.60 1wgs s ALA 68 N -3.07 3.13 -0.40 4.21 0.00 -0.88 -4.84 121.76 119.91 1wgs s ALA 68 Ca 0.63 -2.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.47 1wgs s ALA 68 Cb -0.07 -2.41 0.11 0.00 0.00 0.00 0.00 23.12 20.75 1wgs s ALA 68 CO 0.43 -1.56 0.18 -0.51 0.00 0.00 0.00 175.76 174.30 1wgs s LEU 69 N 1.33 5.15 0.00 0.00 1.43 -1.26 -4.69 118.68 120.63 1wgs s LEU 69 Ca 0.02 -2.01 0.00 0.00 -1.03 0.00 0.00 54.13 51.11 1wgs s LEU 69 Cb -0.22 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1wgs s LEU 69 CO 0.00 -0.52 0.00 0.41 0.23 0.00 0.00 176.35 176.48 1wgs n THR 70 N 4.56 0.00 -1.41 5.49 -1.04 -1.26 -4.34 114.28 116.28 1wgs n THR 70 Ca -0.02 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.59 1wgs n THR 70 Cb 0.41 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.90 1wgs n THR 70 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1wgs n LYS 71 N -1.49 3.56 0.00 -2.82 0.00 -1.26 -4.30 118.16 111.85 1wgs n LYS 71 Ca 0.00 -2.32 0.00 0.00 -0.00 0.00 0.00 58.31 55.99 1wgs n LYS 71 Cb 0.00 -2.89 0.00 0.00 -0.00 0.00 0.00 35.03 32.14 1wgs n LYS 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1wgs n THR 72 N 3.83 0.00 -0.04 0.58 -1.04 -1.26 -5.10 114.28 111.25 1wgs n THR 72 Ca 0.73 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.74 1wgs n THR 72 Cb 0.26 -0.52 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 1wgs n THR 72 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1wgs n VAL 73 N -1.03 0.00 -1.99 12.58 0.24 -1.26 -4.85 118.33 122.02 1wgs n VAL 73 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 1wgs n VAL 73 Cb 0.00 -1.34 0.00 0.00 -1.47 0.00 0.00 33.84 31.04 1wgs n VAL 73 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1wgs n LYS 74 N -0.07 -0.53 -2.67 7.34 4.81 -1.26 -4.92 118.16 120.86 1wgs n LYS 74 Ca 0.00 0.88 -0.42 0.00 -0.87 0.00 0.00 58.31 57.91 1wgs n LYS 74 Cb 0.00 -2.89 -0.03 0.00 0.02 0.00 0.00 35.03 32.13 1wgs n LYS 74 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1wgs s ASP 75 N -2.11 6.50 -0.33 3.14 1.01 -1.26 -4.59 116.67 119.02 1wgs s ASP 75 Ca 0.02 -1.52 0.01 0.00 0.71 0.00 0.00 52.55 51.78 1wgs s ASP 75 Cb -0.01 -2.52 0.30 0.00 1.01 0.00 0.00 42.92 41.71 1wgs s ASP 75 CO 0.25 -1.41 1.33 0.00 0.21 0.00 0.00 175.17 175.54 1wgs n ALA 76 N 8.25 -3.26 -1.80 5.23 0.00 -1.26 -4.99 120.51 122.68 1wgs n ALA 76 Ca 0.27 -0.39 -0.35 0.00 0.00 0.00 0.00 53.44 52.97 1wgs n ALA 76 Cb 0.50 -3.12 -0.03 0.00 0.00 0.00 0.00 19.45 16.81 1wgs n ALA 76 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1wgs n VAL 77 N 0.93 4.49 -1.03 0.00 0.24 -1.26 -4.99 118.33 116.71 1wgs n VAL 77 Ca -0.03 -3.81 -0.35 0.00 -2.04 0.00 0.00 64.34 58.11 1wgs n VAL 77 Cb 0.74 -1.87 0.03 0.00 -1.47 0.00 0.00 33.84 31.26 1wgs n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wgs n GLN 78 N 1.35 0.00 -3.07 7.34 0.00 -1.26 -4.84 117.38 116.90 1wgs n GLN 78 Ca 0.57 0.00 -0.39 0.00 0.00 0.00 0.00 57.00 57.18 1wgs n GLN 78 Cb 0.37 -0.95 -0.01 0.00 0.00 0.00 0.00 30.24 29.65 1wgs n GLN 78 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1wgs n LYS 79 N 2.06 4.09 -3.54 2.61 2.85 -1.26 -4.90 118.16 120.06 1wgs n LYS 79 Ca 0.01 -4.60 0.02 0.00 -1.05 0.00 0.00 58.31 52.69 1wgs n LYS 79 Cb 0.50 -2.44 -0.06 0.00 -0.65 0.00 0.00 35.03 32.38 1wgs n LYS 79 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1wgs s ASN 80 N -1.98 -0.10 0.09 -5.58 2.47 -1.26 -5.10 114.94 103.48 1wgs s ASN 80 Ca 0.34 0.16 0.00 0.00 0.42 0.00 0.00 52.86 53.78 1wgs s ASN 80 Cb 0.09 1.06 0.00 0.00 -1.45 0.00 0.00 41.25 40.95 1wgs s ASN 80 CO 0.06 -0.02 0.00 -0.24 -3.72 0.00 0.00 177.10 173.17 1wgs n SER 81 N 3.49 -0.44 -3.50 -4.21 2.88 -1.26 -5.08 113.62 105.50 1wgs n SER 81 Ca -0.15 0.16 -0.15 0.00 -1.33 0.00 0.00 58.87 57.40 1wgs n SER 81 Cb 0.56 0.59 0.00 0.00 -0.75 0.00 0.00 64.21 64.61 1wgs n SER 81 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1wgs n GLU 82 N -2.73 -1.44 -3.65 -1.46 0.00 -1.26 -5.00 120.64 105.10 1wgs n GLU 82 Ca 0.00 1.04 -0.07 0.00 0.00 0.00 0.00 57.16 58.13 1wgs n GLU 82 Cb 0.00 -3.73 -0.07 0.00 0.00 0.00 0.00 31.44 27.63 1wgs n GLU 82 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1wgs s LYS 83 N -4.21 0.67 0.34 5.31 2.20 -1.26 -5.17 119.74 117.61 1wgs s LYS 83 Ca 0.02 1.17 -0.05 0.00 -0.36 0.00 0.00 55.97 56.75 1wgs s LYS 83 Cb -0.01 0.13 0.02 0.00 -1.51 0.00 0.00 37.83 36.46 1wgs s LYS 83 CO 0.84 -0.15 0.52 0.98 -0.36 0.00 0.00 175.35 177.18 1wgs n TYR 84 N 4.33 -1.60 -0.05 4.03 9.36 -1.26 -5.17 117.16 126.80 1wgs n TYR 84 Ca -0.20 -2.08 -0.03 0.00 3.32 0.00 0.00 57.90 58.91 1wgs n TYR 84 Cb 0.58 0.60 0.03 0.00 -0.63 0.00 0.00 39.34 39.92 1wgs n TYR 84 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1wgs n LEU 85 N 0.00 0.00 -2.67 2.98 4.32 -1.26 -5.02 117.00 115.35 1wgs n LEU 85 Ca -0.02 -0.08 -0.04 0.00 -0.02 0.00 0.00 56.01 55.85 1wgs n LEU 85 Cb 0.55 -0.12 0.11 0.00 -1.62 0.00 0.00 43.42 42.34 1wgs n LEU 85 CO 0.27 -1.53 0.68 -0.24 -1.22 0.00 0.00 177.39 175.36 1wgs n SER 86 N -2.29 -1.35 -0.45 -1.43 2.88 -1.26 -5.16 113.62 104.56 1wgs n SER 86 Ca 0.01 -2.07 0.00 0.00 -1.33 0.00 0.00 58.87 55.49 1wgs n SER 86 Cb 0.06 1.24 0.00 0.00 -0.75 0.00 0.00 64.21 64.75 1wgs n SER 86 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wgs n GLU 87 N 0.42 0.00 -1.33 -1.46 1.02 -1.26 -5.15 120.64 112.88 1wgs n GLU 87 Ca -0.05 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.74 1wgs n GLU 87 Cb 0.75 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 32.28 1wgs n GLU 87 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1wgs s LEU 88 N 0.00 3.28 0.00 -4.62 2.01 -1.26 -5.03 118.68 113.06 1wgs s LEU 88 Ca 0.00 2.44 0.01 0.00 0.01 0.00 0.00 54.13 56.59 1wgs s LEU 88 Cb 0.00 -4.60 -0.00 0.00 0.01 0.00 0.00 46.19 41.60 1wgs s LEU 88 CO 0.00 -2.44 0.03 0.00 1.01 0.00 0.00 176.35 174.95 1wgs n ALA 89 N -2.84 0.08 -2.92 4.21 0.00 -1.26 -5.18 120.51 112.59 1wgs n ALA 89 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1wgs n ALA 89 Cb 0.50 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1wgs n ALA 89 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wgs n GLU 90 N -0.10 2.37 -3.83 0.00 4.07 -1.26 -5.16 120.64 116.74 1wgs n GLU 90 Ca -0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 1wgs n GLU 90 Cb 0.07 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.38 1wgs n GLU 90 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1wgs s GLN 91 N 0.02 0.81 0.11 5.31 -1.52 -1.26 -5.14 119.66 117.99 1wgs s GLN 91 Ca 0.00 -0.80 -0.30 0.00 -1.95 0.00 0.00 55.36 52.31 1wgs s GLN 91 Cb 0.00 0.34 -0.06 0.00 -0.22 0.00 0.00 33.01 33.06 1wgs s GLN 91 CO 0.00 -0.26 1.14 -1.25 -0.25 0.00 0.00 175.29 174.68 1wgs s PRO 92 N -3.34 4.50 -0.11 2.91 0.04 -1.26 -5.03 135.00 132.72 1wgs s PRO 92 Ca 0.01 1.73 -0.04 0.00 0.04 0.00 0.00 61.00 62.74 1wgs s PRO 92 Cb 0.02 -3.32 0.05 0.00 0.04 0.00 0.00 34.50 31.29 1wgs s PRO 92 CO -0.08 -0.11 0.10 -2.00 0.04 0.00 0.00 177.00 174.95 1wgs s GLU 93 N 0.44 0.01 -0.31 4.56 2.56 -1.26 -5.08 118.70 119.63 1wgs s GLU 93 Ca 0.54 0.20 -0.11 0.00 0.00 0.00 0.00 54.97 55.60 1wgs s GLU 93 Cb -0.29 -1.08 0.19 0.00 2.00 0.00 0.00 34.13 34.95 1wgs s GLU 93 CO 0.32 -0.49 1.07 0.50 -0.56 0.00 0.00 175.26 176.10 1wgs s ARG 94 N 2.19 0.13 -0.29 4.30 6.06 -1.26 -5.13 118.95 124.94 1wgs s ARG 94 Ca 0.04 0.04 -0.02 0.00 -2.50 0.00 0.00 55.73 53.29 1wgs s ARG 94 Cb -0.14 0.03 0.04 0.00 0.06 0.00 0.00 34.95 34.95 1wgs s ARG 94 CO -0.07 -0.21 -0.01 0.21 -2.50 0.00 0.00 175.30 172.72 1wgs s LYS 95 N 2.54 2.56 0.34 5.12 2.47 -1.26 -5.10 119.74 126.41 1wgs s LYS 95 Ca 0.23 -1.18 -0.06 0.00 -1.56 0.00 0.00 55.97 53.41 1wgs s LYS 95 Cb 0.01 -3.14 0.09 0.00 -1.46 0.00 0.00 37.83 33.33 1wgs s LYS 95 CO -0.19 -0.56 0.21 0.44 0.16 0.00 0.00 175.35 175.41 1wgs n ILE 96 N 4.64 0.00 -3.97 5.43 -6.64 -1.26 -5.07 119.36 112.49 1wgs n ILE 96 Ca -0.14 -0.01 -0.08 0.00 -1.77 0.00 0.00 62.75 60.74 1wgs n ILE 96 Cb 0.44 -0.32 -0.09 0.00 -1.44 0.00 0.00 39.64 38.23 1wgs n ILE 96 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 1wgs s THR 97 N -1.28 0.17 0.13 7.28 -1.32 -1.26 -5.17 115.64 114.18 1wgs s THR 97 Ca 0.16 -1.39 -0.15 0.00 -1.21 0.00 0.00 61.69 59.10 1wgs s THR 97 Cb -0.03 -1.23 0.03 0.00 -1.51 0.00 0.00 72.50 69.76 1wgs s THR 97 CO 0.13 -0.77 0.37 -0.60 -2.21 0.00 0.00 174.62 171.55 1wgs s ARG 98 N -3.41 1.06 0.24 7.08 3.52 -1.26 -5.18 118.95 120.99 1wgs s ARG 98 Ca 0.02 -0.77 -0.15 0.00 -0.13 0.00 0.00 55.73 54.70 1wgs s ARG 98 Cb 0.04 0.45 0.01 0.00 -1.56 0.00 0.00 34.95 33.88 1wgs s ARG 98 CO -0.08 -0.41 0.52 0.54 -0.81 0.00 0.00 175.30 175.06 1wgs s ASN 99 N -2.82 -0.15 -0.02 -2.12 2.20 -1.26 -5.18 114.94 105.59 1wgs s ASN 99 Ca 0.04 -0.78 -0.13 0.00 -0.94 0.00 0.00 52.86 51.06 1wgs s ASN 99 Cb 0.02 0.60 0.02 0.00 -2.00 0.00 0.00 41.25 39.89 1wgs s ASN 99 CO -0.11 -1.15 0.27 -1.58 -2.94 0.00 0.00 177.10 171.59 1wgs s GLN 100 N -3.97 0.59 0.46 3.55 0.74 -1.26 -5.17 119.66 114.60 1wgs s GLN 100 Ca 0.17 -0.19 0.02 0.00 0.05 0.00 0.00 55.36 55.41 1wgs s GLN 100 Cb -0.02 0.26 -0.01 0.00 1.10 0.00 0.00 33.01 34.35 1wgs s GLN 100 CO 0.06 -0.15 0.07 1.63 -0.55 0.00 0.00 175.29 176.34 1wgs n LYS 101 N 1.47 0.68 -3.48 1.67 4.01 -1.26 -5.17 118.16 116.08 1wgs n LYS 101 Ca -0.21 -3.56 -0.11 0.00 -0.51 0.00 0.00 58.31 53.91 1wgs n LYS 101 Cb 0.56 1.41 -0.02 0.00 -0.51 0.00 0.00 35.03 36.47 1wgs n LYS 101 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1wgs s ARG 102 N -3.69 1.31 0.28 1.97 3.52 -1.26 -5.19 118.95 115.89 1wgs s ARG 102 Ca 0.10 -0.54 -0.01 0.00 -0.13 0.00 0.00 55.73 55.15 1wgs s ARG 102 Cb 0.00 0.58 -0.02 0.00 -1.56 0.00 0.00 34.95 33.95 1wgs s ARG 102 CO 0.07 -0.57 0.31 -1.59 -0.81 0.00 0.00 175.30 172.71 1wgs s LYS 103 N -3.77 1.58 0.18 5.12 0.00 -1.26 -5.18 119.74 116.41 1wgs s LYS 103 Ca 0.02 -1.71 -0.23 0.00 0.00 0.00 0.00 55.97 54.06 1wgs s LYS 103 Cb -0.01 0.36 0.08 0.00 0.00 0.00 0.00 37.83 38.25 1wgs s LYS 103 CO -0.11 -0.60 1.03 -1.58 0.00 0.00 0.00 175.35 174.09 1wgs s HIS 104 N -3.66 0.04 0.04 1.78 2.46 -1.26 -5.19 115.29 109.50 1wgs s HIS 104 Ca 0.35 -0.42 -0.28 0.00 0.47 0.00 0.00 55.06 55.18 1wgs s HIS 104 Cb 0.03 0.69 0.10 0.00 -0.13 0.00 0.00 32.58 33.26 1wgs s HIS 104 CO 0.18 -0.90 1.11 -0.51 -2.47 0.00 0.00 174.74 172.15 1wgs s ASP 105 N -3.33 -0.14 -0.16 9.88 1.11 -1.26 -5.18 116.67 117.60 1wgs s ASP 105 Ca 0.20 -0.23 -0.14 0.00 0.18 0.00 0.00 52.55 52.56 1wgs s ASP 105 Cb -0.02 0.32 0.04 0.00 1.07 0.00 0.00 42.92 44.33 1wgs s ASP 105 CO 0.05 -0.58 0.41 -0.70 1.18 0.00 0.00 175.17 175.53 1wgs s GLU 106 N -2.85 0.48 1.03 8.23 2.12 -1.26 -5.17 118.70 121.27 1wgs s GLU 106 Ca 0.12 0.59 -0.17 0.00 0.36 0.00 0.00 54.97 55.87 1wgs s GLU 106 Cb 0.01 0.22 0.24 0.00 0.26 0.00 0.00 34.13 34.85 1wgs s GLU 106 CO -0.02 -0.06 1.32 0.96 -0.54 0.00 0.00 175.26 176.92 1wgs s ILE 107 N 0.30 1.94 0.15 -3.70 -5.25 -1.26 -5.10 121.20 108.27 1wgs s ILE 107 Ca -0.01 0.00 -0.23 0.00 -0.99 0.00 0.00 60.65 59.42 1wgs s ILE 107 Cb -0.03 -2.93 0.07 0.00 2.95 0.00 0.00 42.46 42.52 1wgs s ILE 107 CO -0.00 0.00 0.62 0.21 -1.79 0.00 0.00 174.94 173.98 1wgs s ASN 108 N -4.83 -0.55 -0.29 4.36 2.47 -1.26 -5.18 114.94 109.67 1wgs s ASN 108 Ca 0.76 -0.01 -0.25 0.00 0.42 0.00 0.00 52.86 53.77 1wgs s ASN 108 Cb -0.03 0.59 0.17 0.00 -1.45 0.00 0.00 41.25 40.52 1wgs s ASN 108 CO 0.54 -0.95 1.30 -1.38 -3.72 0.00 0.00 177.10 172.89 1wgs s HIS 109 N -3.71 -0.19 0.00 0.43 -3.43 -1.26 -5.18 115.29 101.94 1wgs s HIS 109 Ca 0.01 0.46 0.00 0.00 -0.80 0.00 0.00 55.06 54.74 1wgs s HIS 109 Cb -0.01 0.45 0.00 0.00 -1.43 0.00 0.00 32.58 31.58 1wgs s HIS 109 CO -0.12 -0.10 0.00 1.33 -2.00 0.00 0.00 174.74 173.85 1wgs n VAL 110 N 1.69 0.00 -4.56 -5.38 0.24 -1.26 -5.16 118.33 103.89 1wgs n VAL 110 Ca -0.10 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.88 1wgs n VAL 110 Cb 0.57 -0.35 -0.05 0.00 -1.47 0.00 0.00 33.84 32.53 1wgs n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wgs s GLN 111 N -0.38 2.24 -0.27 7.34 1.03 -1.26 -5.16 119.66 123.20 1wgs s GLN 111 Ca 0.00 -2.36 -0.18 0.00 0.04 0.00 0.00 55.36 52.86 1wgs s GLN 111 Cb 0.00 -1.66 0.07 0.00 0.03 0.00 0.00 33.01 31.46 1wgs s GLN 111 CO 0.00 -0.48 0.67 0.21 -2.54 0.00 0.00 175.29 173.15 1wgs s LYS 112 N -4.01 0.72 0.12 9.60 2.20 -1.26 -5.17 119.74 121.94 1wgs s LYS 112 Ca 0.08 1.12 -0.02 0.00 -0.36 0.00 0.00 55.97 56.80 1wgs s LYS 112 Cb -0.01 0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.53 1wgs s LYS 112 CO 0.05 -0.13 0.19 -2.37 -0.36 0.00 0.00 175.35 172.73 1wgs n THR 113 N 3.80 0.00 -3.86 3.43 5.66 -1.26 -5.19 114.28 116.86 1wgs n THR 113 Ca -0.18 -0.56 -0.04 0.00 -3.05 0.00 0.00 64.05 60.22 1wgs n THR 113 Cb 0.58 0.37 0.02 0.00 -1.55 0.00 0.00 70.33 69.74 1wgs n THR 113 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1wgs s TYR 114 N -4.81 0.06 0.38 1.09 -0.85 -1.26 -5.19 117.35 106.77 1wgs s TYR 114 Ca 0.09 -0.50 -0.14 0.00 -0.52 0.00 0.00 57.07 56.01 1wgs s TYR 114 Cb -0.01 0.72 0.05 0.00 0.38 0.00 0.00 41.96 43.10 1wgs s TYR 114 CO 0.07 -1.02 0.74 0.00 -1.52 0.00 0.00 175.55 173.82 1wgs s ALA 115 N -2.28 -0.51 0.09 9.51 0.00 -1.26 -5.17 121.76 122.13 1wgs s ALA 115 Ca 0.20 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.32 1wgs s ALA 115 Cb -0.03 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 1wgs s ALA 115 CO 0.06 -0.96 0.13 -1.21 0.00 0.00 0.00 175.76 173.78 1wgs s GLU 116 N -2.46 3.04 0.05 0.00 0.41 -1.26 -5.12 118.70 113.37 1wgs s GLU 116 Ca 0.18 -0.65 0.05 0.00 -0.41 0.00 0.00 54.97 54.14 1wgs s GLU 116 Cb -0.04 -2.80 -0.04 0.00 -1.78 0.00 0.00 34.13 29.47 1wgs s GLU 116 CO 0.13 0.56 -0.09 -1.64 -0.49 0.00 0.00 175.26 173.73 1wgs s MET 117 N -2.55 2.34 0.00 1.61 -1.94 -1.26 -5.09 119.30 112.41 1wgs s MET 117 Ca 0.31 -0.87 0.00 0.00 -1.71 0.00 0.00 55.69 53.42 1wgs s MET 117 Cb -0.12 -2.39 0.00 0.00 2.01 0.00 0.00 34.83 34.33 1wgs s MET 117 CO 0.24 0.56 0.00 -0.40 -0.01 0.00 0.00 175.02 175.40 1wgs n ASP 118 N 1.19 0.00 0.09 3.03 5.68 -1.26 -5.08 116.55 120.20 1wgs n ASP 118 Ca -0.14 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.09 1wgs n ASP 118 Cb 0.52 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.48 1wgs n ASP 118 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1wgs h PRO 119 N 0.00 -0.32 -1.94 0.11 0.13 -2.09 -3.49 132.00 124.39 1wgs h PRO 119 Ca 0.00 0.02 0.22 0.00 -0.87 0.00 0.00 66.00 65.37 1wgs h PRO 119 Cb 0.00 0.07 -0.12 0.00 0.13 0.00 0.00 31.00 31.08 1wgs h PRO 119 CO 0.00 -0.19 0.63 -0.08 -0.23 0.00 0.00 178.00 178.13 1wgs s THR 120 N -2.67 0.00 0.13 1.56 -1.32 -1.26 -5.18 115.64 106.90 1wgs s THR 120 Ca -0.05 -0.31 0.06 0.00 -1.21 0.00 0.00 61.69 60.17 1wgs s THR 120 Cb 0.00 -1.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.30 1wgs s THR 120 CO 0.17 0.00 -0.13 0.28 -2.21 0.00 0.00 174.62 172.72 1wgs s THR 121 N -2.88 1.34 -0.00 5.08 -1.32 -1.26 -5.15 115.64 111.45 1wgs s THR 121 Ca 0.11 -1.80 -0.29 0.00 -1.21 0.00 0.00 61.69 58.50 1wgs s THR 121 Cb 0.01 -1.61 0.10 0.00 -1.51 0.00 0.00 72.50 69.49 1wgs s THR 121 CO -0.03 -0.48 1.27 0.00 -2.21 0.00 0.00 174.62 173.17 1wgs s ALA 122 N -2.37 -2.32 -0.11 11.08 0.00 -1.26 -5.18 121.76 121.59 1wgs s ALA 122 Ca 0.11 0.24 -0.22 0.00 0.00 0.00 0.00 51.96 52.10 1wgs s ALA 122 Cb -0.04 0.69 0.05 0.00 0.00 0.00 0.00 23.12 23.83 1wgs s ALA 122 CO 0.03 -1.11 0.53 0.00 0.00 0.00 0.00 175.76 175.21 1wgs s ALA 123 N -2.17 -1.34 -0.99 0.00 0.00 -1.26 -5.07 121.76 110.93 1wgs s ALA 123 Ca 0.23 1.18 -0.22 0.00 0.00 0.00 0.00 51.96 53.15 1wgs s ALA 123 Cb 0.01 -0.40 -0.26 0.00 0.00 0.00 0.00 23.12 22.47 1wgs s ALA 123 CO -0.01 -0.29 2.46 1.28 0.00 0.00 0.00 175.76 179.19 1wgs n LEU 124 N 1.87 -0.39 -4.19 0.00 4.32 -1.26 -4.82 117.00 112.54 1wgs n LEU 124 Ca -0.17 -0.10 -0.37 0.00 -0.02 0.00 0.00 56.01 55.35 1wgs n LEU 124 Cb 0.56 -0.76 -0.12 0.00 -1.62 0.00 0.00 43.42 41.48 1wgs n LEU 124 CO 0.16 -0.99 -0.22 -0.70 -1.22 0.00 0.00 177.39 174.42 1wgs s GLU 125 N 8.14 2.33 0.25 3.23 2.12 -1.26 -5.04 118.70 128.46 1wgs s GLU 125 Ca 1.33 -1.50 -0.20 0.00 0.36 0.00 0.00 54.97 54.96 1wgs s GLU 125 Cb -1.09 -3.49 0.06 0.00 0.26 0.00 0.00 34.13 29.87 1wgs s GLU 125 CO 0.52 -0.86 0.91 0.15 -0.54 0.00 0.00 175.26 175.44 1wgs s LYS 126 N 1.26 1.64 0.00 4.30 -0.14 -1.26 -5.16 119.74 120.39 1wgs s LYS 126 Ca 0.02 -1.02 0.00 0.00 -1.36 0.00 0.00 55.97 53.61 1wgs s LYS 126 Cb -0.21 0.48 0.00 0.00 -1.68 0.00 0.00 37.83 36.42 1wgs s LYS 126 CO -0.01 -0.77 0.00 -1.91 -0.76 0.00 0.00 175.35 171.90 1wgs n GLU 127 N -0.58 0.00 -4.07 1.68 4.07 -1.26 -5.18 120.64 115.30 1wgs n GLU 127 Ca -0.05 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.82 1wgs n GLU 127 Cb 0.60 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.92 1wgs n GLU 127 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1wgs s SER 128 N 0.00 4.69 -0.30 4.31 0.15 -1.26 -5.12 113.70 116.17 1wgs s SER 128 Ca 0.00 -0.79 -0.04 0.00 0.70 0.00 0.00 55.95 55.82 1wgs s SER 128 Cb 0.00 -0.70 0.19 0.00 -1.71 0.00 0.00 66.02 63.80 1wgs s SER 128 CO 0.00 -0.34 0.85 -0.83 1.20 0.00 0.00 173.24 174.12 1wgs s GLY 129 N -3.87 -1.11 0.00 9.45 0.00 -1.26 -5.17 107.32 105.36 1wgs s GLY 129 Ca 0.39 1.58 0.00 0.00 0.00 0.00 0.00 44.72 46.69 1wgs s GLY 129 CO 0.23 3.93 0.00 -1.55 0.00 0.00 0.00 173.10 175.71 1wgs n PRO 130 N 5.14 -0.44 -3.84 2.90 -0.04 -1.26 -5.11 135.00 132.36 1wgs n PRO 130 Ca 0.08 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.47 1wgs n PRO 130 Cb 0.56 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.04 1wgs n PRO 130 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgs s SER 131 N -1.25 -0.01 0.26 3.54 0.15 -1.26 -5.19 113.70 109.94 1wgs s SER 131 Ca 0.00 -0.92 -0.22 0.00 0.70 0.00 0.00 55.95 55.51 1wgs s SER 131 Cb 0.00 0.70 0.03 0.00 -1.71 0.00 0.00 66.02 65.04 1wgs s SER 131 CO 0.00 -1.38 0.78 -0.44 1.20 0.00 0.00 173.24 173.40 1wgs s SER 132 N -3.20 -0.23 0.00 5.45 0.01 -1.26 -5.38 113.70 109.08 1wgs s SER 132 Ca 0.18 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1wgs s SER 132 Cb -0.04 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.87 1wgs s SER 132 CO 0.09 -1.26 0.00 0.61 0.41 0.00 0.00 173.24 173.08